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205490-78-4 | 1,4,7,10-Tetraoxacyclododecane, 2-[[(6-bromohexyl)oxy]methyl]-
CAS No: 205490-78-4 Catalog No: AG002A4G MDL No:
Product Description
Catalog Number:
AG002A4G
Chemical Name:
1,4,7,10-Tetraoxacyclododecane, 2-[[(6-bromohexyl)oxy]methyl]-
CAS Number:
205490-78-4
Molecular Formula:
C15H29BrO5
Molecular Weight:
369.2918
IUPAC Name:
2-(6-bromohexoxymethyl)-1,4,7,10-tetraoxacyclododecane
InChI:
InChI=1S/C15H29BrO5/c16-5-3-1-2-4-6-19-13-15-14-20-10-9-17-7-8-18-11-12-21-15/h15H,1-14H2
InChI Key:
NMRNCGVYOYJYON-UHFFFAOYSA-N
SMILES:
BrCCCCCCOCC1COCCOCCOCCO1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.296g/mol
Monoisotopic Mass:
368.12g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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